3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline

C13H11Cl2NO2S — CID 81186152

IUPAC3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline
SMILESNc1cccc(Cl)c1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c14-10-5-2-1-4-9(10)8-19(17,18)13-11(15)6-3-7-12(13)16/h1-7H,8,16H2
InChIKeyOZUGMNDXHSVMCO-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.55
Rot. Bonds3

About 3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline

3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline (PubChem CID 81186152) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline.

Molecular Properties

Compound Name3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline
PubChem CID81186152
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline
SMILESNc1cccc(Cl)c1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c14-10-5-2-1-4-9(10)8-19(17,18)13-11(15)6-3-7-12(13)16/h1-7H,8,16H2
InChIKeyOZUGMNDXHSVMCO-UHFFFAOYSA-N
XLogP3.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-[(2-fluoro-3-methoxyphenyl)methylsulfonyl]aniline
CID 104795752
3-chloro-2-[(2,4-difluorophenyl)methylsulfonyl]aniline
CID 81181540
3-chloro-2-[(2,5-dimethylphenyl)methylsulfonyl]aniline
CID 81185154
3-chloro-2-[(4-methylphenyl)methylsulfonyl]aniline
CID 81185256
3-chloro-2-(methoxymethylsulfonyl)aniline
CID 81182200
3-chloro-2-(2,2,2-trifluoroethylsulfonyl)aniline
CID 81182114
4-[(2-amino-6-chlorophenyl)sulfonylmethyl]-3-methylbenzonitrile
CID 114486300
3-chloro-2-(1,3-thiazol-2-ylmethylsulfonyl)aniline
CID 81182195
3-chloro-2-(2,3-dihydro-1H-inden-5-ylmethylsulfonyl)aniline
CID 81185321
2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide
CID 61106488
2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756335
3-chloro-2-(cyclopentylmethylsulfonyl)aniline
CID 81185150

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline?
The IUPAC name of 3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline (CID 81186152) is 3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline.
What is the SMILES notation for 3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline?
The canonical SMILES for 3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline is Nc1cccc(Cl)c1S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline?
The InChIKey is OZUGMNDXHSVMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c14-10-5-2-1-4-9(10)8-19(17,18)13-11(15)6-3-7-12(13)16/h1-7H,8,16H2.
What are the key properties of 3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline?
3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline has a molecular weight of 316.21 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline is sourced from PubChem (CID 81186152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).